SCHEMBL21982965

SCHEMBL21982965

CC(CCCO)Oc1ccc(C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.56
DRD1 P21728 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CYP2A6 P11509 2/20 0.43
KMT2A Q03164 1/20 0.42
GPR88 Q9GZN0 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TYR P14679 1/20 0.39
PARP10 Q53GL7 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
STS P08842 1/20 0.35
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11759441 0.85 ALDH1A3 (0.58) ALDH1A3DRD1ALDH1A1CYP2A6KMT2A
SCHEMBL241310 0.83 ALDH1A3 (0.63) ALDH1A3DRD1ALDH1A1CYP2A6KMT2A
SCHEMBL1931653 0.83 ALDH1A3 (0.63) ALDH1A3DRD1ALDH1A1CYP2A6KMT2A
SCHEMBL11442565 0.83 ALDH1A3 (0.54) ALDH1A3DRD1ALDH1A1CYP2A6KMT2A
SCHEMBL10624640 0.83 ALDH1A3 (0.54) ALDH1A3DRD1ALDH1A1CYP2A6KMT2A
SCHEMBL8970741 0.81 ALDH1A3 (0.61) ALDH1A3DRD1ALDH1A1CYP2A6KMT2A
SCHEMBL11789545 0.81 ALDH1A3 (0.61) ALDH1A3DRD1ALDH1A1CYP2A6KMT2A
SCHEMBL2556328 0.79 ALDH1A3 (0.54) ALDH1A3DRD1ALDH1A1CYP2A6KMT2A
SCHEMBL11805293 0.78 ALDH1A3 (0.53) ALDH1A3DRD1ALDH1A1CYP2A6KMT2A
SCHEMBL16353393 0.78 ALDH1A3 (0.66) ALDH1A3DRD1ALDH1A1CYP2A6KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647848-B2 Rubber composition with a high level of fluidity based on an aromatic aldehyde and an aromatic polyphenol COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-05-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10647848-B2 Rubber composition with a high level of fluidity based on an aromatic aldehyde and an aromatic polyphenol AHR, POP1, RER1 ALDH1A3 969/4885DRD1 217/4885ALDH1A1 85/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.